3-(3-((2R,4S,5R)-4-(tert-butoxycarbonyloxy)-5-((tert-butoxycarbonyloxy)methyl)tetrahydrofuran-2-yl)-5-methyl-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)propyl 4-methylbenzenesulfonate | 1054490-67-3

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: 3-(3-((2R,4S,5R)-4-(tert-butoxycarbonyloxy)-5-((tert-butoxycarbonyloxy)methyl)tetrahydrofuran-2-yl)-5-methyl-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)propyl 4-methylbenzenesulfonate
• 英文别名: 3-[5-methyl-3-[(2R,4S,5R)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-2-yl]-2,6-dioxopyrimidin-1-yl]propyl 4-methylbenzenesulfonate
• CAS: 1054490-67-3
• 化学式: C₃₀H₄₂N₂O₁₂S
• 分子量: 654.736
• InChiKey: PFWYUTCUHLLXEW-RBZQAINGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  45
• 可旋转键数：
  16
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  173
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  3-(3-((2R,4S,5R)-4-(tert-butoxycarbonyloxy)-5-((tert-butoxycarbonyloxy)methyl)tetrahydrofuran-2-yl)-5-methyl-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)propyl 4-methylbenzenesulfonate 在 盐酸 、 水 、 potassium carbonate 、 4,7,13,16,21,24-六氧-1,10-二氮双环[8.8.8]二十六烷 作用下， 以 乙腈 为溶剂， 95.0~105.0 ℃ 、230.0 kPa 条件下， 反应 0.3h， 生成 3-(3-(18F)fluoranylpropyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
  参考文献：
  名称：

  WO2008/109080

  摘要：

  公开号：

文献信息

• Nucleoside based proliferation imaging markers
  申请人：Kolb Hartmuth C.

  公开号：US20090016958A1

  公开（公告）日：2009-01-15

  Disclosed herein are novel radiolabeled nucleosides and methods for detecting cellular proliferation in a mammal, the method comprising administrating an effective amount of a radiolabeled nucleoside; the method comprising: a) administering to the mammal a diagnostically effective amount of the nucleoside to the mammal; b) allowing the nucleoside to distribute into the effective tissue; and c) imaging the tissue, wherein an increase in binding of the compound to tissue compared to a normal control level of binding indicates that the mammal is suffering from a disease involving cellular proliferation.
• US7928210B2
  申请人：——

  公开号：US7928210B2

  公开（公告）日：2011-04-19